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Information card for entry 8106816
Preview
Coordinates | 8106816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H9 N3 S |
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Calculated formula | C15 H9 N3 S |
Title of publication | Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile) |
Authors of publication | De-La-Torre, Pedro; Gutierrez, Margarita; Caballero, Julio; Trilleras, Jorge; Astudillo, Luis; Cardenas, Alejandro; Brito, Ivan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 171 - 173 |
a | 9.5737 ± 0.0005 Å |
b | 12.0958 ± 0.0004 Å |
c | 12.2705 ± 0.0007 Å |
α | 64.083 ± 0.005° |
β | 80.907 ± 0.004° |
γ | 82.8 ± 0.004° |
Cell volume | 1259.44 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106816.html
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Users of the data should acknowledge the original authors of the
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